Information card for entry 7012625

Structure parameters

• Formula: C37.4 H42.22 N6 O13.21 S2 V2
• Calculated formula: C37.4 H34 N6 O13.21 S2 V2
• Title of publication: Mimicking the oxidized glutathione-VIVO2+ speciesAbbreviations used: bipy, 2,2'-bipyridine; phen, 1,10-phenanthroline; H3mpg, N-(2-mercaptopropionyl)glycine; H2mpgS‒S2‒, the oxidized-S,S dimer of H3mpg (see Scheme 1).
• Authors of publication: Tolis, Evangelos J.; Manos, Manolis J.; Terzis, Aris; Raptopoulou, Catherine P.; Kabanos, Themistoklis A.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 5
• Pages of publication: 775
• a: 14.145 ± 0.006 Å
• b: 12.324 ± 0.005 Å
• c: 15.266 ± 0.006 Å
• α: 71.03 ± 0.01°
• β: 75.81 ± 0.01°
• γ: 67.37 ± 0.01°
• Cell volume: 2300.8 ± 1.6 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0993
• Residual factor for significantly intense reflections: 0.0709
• Weighted residual factors for all reflections: 0.2199
• Weighted residual factors for significantly intense reflections: 0.1841
• Goodness-of-fit parameter for all reflections: 1.041
• Goodness-of-fit parameter for significantly intense reflections: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No